Molecule

ID:121219

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇FN₂O
Molecular Mass
236.2852832
Exact Mass
236.13249139
Charge
0
InChI
InChI=1S/C13H17FN2O/c14-11-6-5-10(9-12(11)15)13(17)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,15H2
InChIKey
JRCCTRHIKJPSCW-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(c(c1)N)F)N1CCCCCC1
Isomeric Smiles
C(=O)(N1CCCCCC1)c1cc(c(cc1)F)N
Calculated Properties
JChem
Acid pKa
17.968704
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8799042
LogD (pH = 7.4)
1.8799485
Log P
1.879949
Molar Refractivity
66.5896
Polarizability
24.298603
Polar Surface Area
46.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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